1-[(3-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide

C18H23FN4O — CID 51096943

IUPAC1-[(3-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCn1cc(CNC(=O)C2CCCN(Cc3cccc(F)c3)C2)cn1
InChIInChI=1S/C18H23FN4O/c1-22-11-15(10-21-22)9-20-18(24)16-5-3-7-23(13-16)12-14-4-2-6-17(19)8-14/h2,4,6,8,10-11,16H,3,5,7,9,12-13H2,1H3,(H,20,24)
InChIKeyNGCZEZADPRJYKN-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.09
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide

1-[(3-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 51096943) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID51096943
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name1-[(3-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCn1cc(CNC(=O)C2CCCN(Cc3cccc(F)c3)C2)cn1
InChIInChI=1S/C18H23FN4O/c1-22-11-15(10-21-22)9-20-18(24)16-5-3-7-23(13-16)12-14-4-2-6-17(19)8-14/h2,4,6,8,10-11,16H,3,5,7,9,12-13H2,1H3,(H,20,24)
InChIKeyNGCZEZADPRJYKN-UHFFFAOYSA-N
XLogP2.09
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorobenzyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 1502164
N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24819297
1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 1225887
1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine
CID 16189902
N-(2-fluorobenzyl)-3-{1-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}propanamide
CID 16190843
N-(2-fluorobenzyl)-3-{1-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinyl}propanamide
CID 16190899
N-(3,4-difluorobenzyl)-3-{1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]piperidin-3-yl}propanamide
CID 16191462
N-ethyl-2-[1-(4-fluorobenzyl)-3-oxo-2-piperazinyl]-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
CID 16191808
N-({1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methyl)-4-fluorobenzamide
CID 16191911
1-(2,3-difluorobenzyl)-N-[3-(1H-pyrazol-1-yl)phenyl]-3-piperidinecarboxamide
CID 24790064
N-(4-isopropylphenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24793068
1-[2-(3-fluorophenyl)ethyl]-6-keto-N-[2-(1H-pyrazol-4-yl)ethyl]nipecotamide
CID 24794338

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide (CID 51096943) is 1-[(3-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide is Cn1cc(CNC(=O)C2CCCN(Cc3cccc(F)c3)C2)cn1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is NGCZEZADPRJYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-22-11-15(10-21-22)9-20-18(24)16-5-3-7-23(13-16)12-14-4-2-6-17(19)8-14/h2,4,6,8,10-11,16H,3,5,7,9,12-13H2,1H3,(H,20,24).
What are the key properties of 1-[(3-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
1-[(3-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 51096943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).